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Chemical ID: 6014781
Chemical ID:
6014781
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCOC)C(=O)C4CC4
InChi [?]:
InChI=1/C23H28N2O6/c1-16-3-7-19(31-16)13-25(12-17-4-8-20-21(11-17)30-15-29-20)22(26)14-24(9-10-28-2)23(27)18-5-6-18/h3-4,7-8,11,18H,5-6,9-10,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,3,11,30,31,4,12,23,24,15,9,7,21,17,2,10,29,5,13,14,19,27,22,8,20,28,25,18,16,6/E:(5,6)/rA:31nCCCCCOCNCCCCCCCOCOCOCNCCOCCOCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s25;s22;d27;s27;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6085 |
Area: | 653.741 |
Solvation: | -8.73503 |
Coulombic: | -60.0165 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 428.478 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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